1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane

C16H28OSi — CID 135023459

IUPAC1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane
SMILESC#CCC(O[Si](CC)(CC)CC)C1=CCCCC1
InChIInChI=1S/C16H28OSi/c1-5-12-16(15-13-10-9-11-14-15)17-18(6-2,7-3)8-4/h1,13,16H,6-12,14H2,2-4H3
InChIKeyHOQKWZGCYDHSBQ-UHFFFAOYSA-N
MW264.48 g/mol
LogP4.90
Rot. Bonds7

About 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane

1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane (PubChem CID 135023459) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane
PubChem CID135023459
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane
SMILESC#CCC(O[Si](CC)(CC)CC)C1=CCCCC1
InChIInChI=1S/C16H28OSi/c1-5-12-16(15-13-10-9-11-14-15)17-18(6-2,7-3)8-4/h1,13,16H,6-12,14H2,2-4H3
InChIKeyHOQKWZGCYDHSBQ-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
Tert-butyl-[(2-ethynylcyclohexen-1-yl)methoxy]-dimethylsilane
CID 135038254
[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
CID 135068814
Tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane
CID 135084370
tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane
CID 138967347
tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane
CID 138967662
Tert-butyl-dimethyl-(6-methylidenedec-1-en-9-yn-3-yloxy)silane
CID 139252745
Tert-butyl-dimethyl-(6-methylidenedec-1-en-9-yn-5-yloxy)silane
CID 139252752
Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-4-yloxy)silane
CID 139252755
Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane
CID 139252758
tert-butyl-[(Z)-dec-3-en-1-yn-5-yl]oxy-dimethylsilane
CID 146163106
(Z)-tert-butyldimethyl((7-methylcyclooctadec-6-en-1-yl)oxy)silane
CID 163319776

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane?
The IUPAC name of 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane (CID 135023459) is 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane.
What is the SMILES notation for 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane?
The canonical SMILES for 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane is C#CCC(O[Si](CC)(CC)CC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane?
The InChIKey is HOQKWZGCYDHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-5-12-16(15-13-10-9-11-14-15)17-18(6-2,7-3)8-4/h1,13,16H,6-12,14H2,2-4H3.
What are the key properties of 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane?
1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane has a molecular weight of 264.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)but-3-ynoxy-triethylsilane is sourced from PubChem (CID 135023459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).